Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)- (CAS 28239-49-8)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-

InChI
InChI=1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
InChI Key
KKPCLTFASPTTIQ-UHFFFAOYSA-N
Formula
C14H22N2O3
SMILES
C=CCC1(C(C)CCC)C(=O)N(C)C(=O)N(C)C1=O
Molecular Weight1
266.34
CAS
28239-49-8
Other Names
  • Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
  • N,N-Dimethylquinalbarbitone
  • 1,3-Dimethylsecobarbital
  • 5-Allyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Secobarbital, 1,3-dimethyl
  • Secobarbital, (bis-Me)
  • Secobarbital permethylated
  • Secobarbital Me
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Physical Properties

Property Value Unit Source
log10WS -2.45 Relay (1.0) Calculated Property
logPoct/wat 2.035 Crippen Calculated Property
McVol 217.630 ml/mol McGowan Calculated Property
Inp [1670.00; 1699.00]   Show Hide
Inp 1680.00 NIST
Inp 1680.00 NIST
Inp 1680.00 NIST
Inp 1699.00 NIST
Inp 1670.00 NIST
Tfus 303.10 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-diethyl-5-(1-methylbutyl)-5-(2-propenyl)-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-. Secobarbital, 1,3-dibutyl. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-. Butallylonal permethylated. Methohexitone-permethylated. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methylethyl)-5-(2-propenyl)-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylpropyl)-. Vinylbital, permethylated. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-. Pentobarbital ethylated. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(3-methylbutyl)-. Barbituric acid, 5-allyl-5-(2-hydroxypropyl) permethylated. Talbutal. Thiamylal.

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-.

Sources

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